UCSF

ZINC44378839

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.42 0.18 -117.83 2 6 -2 114 246.219 4
Lo Low (pH 4.5-6) -0.42 -0 -49.18 3 6 -1 112 247.227 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )